methanesulfonic acid;1-methyl-4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
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![methanesulfonic acid;1-methyl-4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ca84d0e2f9444118acbe5d5c80c53f02.png "methanesulfonic acid;1-methyl-4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine")
methanesulfonic acid;1-methyl-4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
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CAS No:
39841-95-7
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Formula:
C25H38N2O6S4
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Chemical Name:
methanesulfonic acid;1-methyl-4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
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Synonyms:
39841-95-7;DTXSID50960408;Piperazine, 1-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:3);Methanesulfonic acid--1-methyl-4-{8-[(2-methylpropyl)sulfanyl]-10,11-dihydrodibenzo[b,f]thiepin-10-yl}piperazine (2/1)
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CAS No:
methanesulfonic acid;1-methyl-4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Basic Attributes
590.8 g/mol
590.16127163 g/mol
Computed Properties
Molecular Weight:590.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:590.16127163
Monoisotopic Mass:590.16127163
Topological Polar Surface Area:183
Heavy Atom Count:37
Complexity:556
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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